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	hartrees
Energy at 0K	-280.329485
Energy at 298.15K	-280.335169
HF Energy	-280.329485
Nuclear repulsion energy	212.637818

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3200	3061	0.00
2	A₁'	1167	1116	0.00
3	A₁'	1033	988	0.00
4	A₂'	1408	1347	0.00
5	A₂'	1183	1131	0.00
6	A₂"	962	920	0.04
7	A₂"	762	728	38.74
8	E'	3195	3056	24.72
8	E'	3195	3056	24.85
9	E'	1642	1571	155.94
9	E'	1642	1571	155.91
10	E'	1460	1396	66.64
10	E'	1460	1396	66.71
11	E'	1218	1165	1.47
11	E'	1218	1165	1.49
12	E'	699	669	17.78
12	E'	699	669	17.80
13	E"	1054	1008	0.00
13	E"	1054	1008	0.00
14	E"	353	338	0.00
14	E"	353	338	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.397
C2	1.210	-0.698
C3	-1.210	-0.698
N4	0.000	-1.438
N5	1.246	0.719
N6	-1.246	0.719
H7	0.000	2.426
H8	2.101	-1.213
H9	-2.101	-1.213

	C1	C2	C3	N4	N5	N6	H7	H8	H9
C1		2.4196	2.4196	2.8352	1.4180	1.4180	1.0294	3.3508	3.3508
C2	2.4196		2.4196	1.4180	1.4180	2.8352	3.3508	1.0294	3.3508
C3	2.4196	2.4196		1.4180	2.8352	1.4180	3.3508	3.3508	1.0294
N4	2.8352	1.4180	1.4180		2.4910	2.4910	3.8645	2.1133	2.1133
N5	1.4180	1.4180	2.8352	2.4910		2.4910	2.1133	2.1133	3.8645
N6	1.4180	2.8352	1.4180	2.4910	2.4910		2.1133	3.8645	2.1133
H7	1.0294	3.3508	3.3508	3.8645	2.1133	2.1133		4.2025	4.2025
H8	3.3508	1.0294	3.3508	2.1133	2.1133	3.8645	4.2025		4.2025
H9	3.3508	3.3508	1.0294	2.1133	3.8645	2.1133	4.2025	4.2025

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C2	117.116	C1	N6	C3	117.116
C2	N4	C3	117.116	N4	C2	N5	122.884
N4	C2	H8	118.558	N4	C3	N6	122.884
N4	C3	H9	118.558	N5	C1	N6	122.884
N5	C1	H7	118.558	N5	C2	H8	118.558
N6	C1	H7	118.558	N6	C3	H9	118.558

All results from a given calculation for C₃H₃N₃ (1,3,5-Triazine)

using model chemistry: wB97X-D/6-311G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	0.140
2	C	0.140
3	C	0.140
4	N	-0.289
5	N	-0.289
6	N	-0.289
7	H	0.149
8	H	0.149
9	H	0.149

<r²>	107.517
(<r²>)^1/2	10.369

All results from a given calculation for C3H3N3 (1,3,5-Triazine)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for C₃H₃N₃ (1,3,5-Triazine)